UCSF

ZINC27842266

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 36 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Hi High (pH 8-9.5) -0.70 0.51 -37.69 9 9 1 152 501.648 10
Hi High (pH 8-9.5) -0.70 0.76 -112.57 10 9 2 153 502.656 10
Hi High (pH 8-9.5) -0.70 -0.67 -41.51 9 9 1 149 501.648 10
Hi High (pH 8-9.5) -0.70 -0.29 -127.09 10 9 2 150 502.656 10
Mid Mid (pH 6-8) -0.70 1.04 -220.55 11 9 3 155 503.664 10
Mid Mid (pH 6-8) -0.70 1.08 -198.7 11 9 3 155 503.664 10
Lo Low (pH 4.5-6) -0.70 1.21 -350.43 12 9 4 157 504.672 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )