UCSF

ZINC45658504

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 0.41 0.96 -41.74 3 3 1 34 212.361 4
Hi High (pH 8-9.5) 0.41 2.67 -31.05 3 3 1 34 212.361 4
Mid Mid (pH 6-8) 0.40 4.79 -93.67 4 3 2 35 213.369 4
Mid Mid (pH 6-8) 0.40 2.38 -25.67 3 3 1 34 212.361 4
Mid Mid (pH 6-8) 0.40 2.84 -116.81 4 3 2 35 213.369 4
Lo Low (pH 4.5-6) 0.40 5.28 -212.82 5 3 3 37 214.377 4
Lo Low (pH 4.5-6) 0.40 3.4 -102.5 4 3 2 35 213.369 4

Activity (Go SEA)

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