UCSF

ZINC62036326

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 14 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
Ref Reference (pH 7) -0.14 0.34 -41.94 2 4 1 38 203.306 6
Hi High (pH 8-9.5) -0.14 -1.03 -4.39 1 4 0 34 202.298 6
Mid Mid (pH 6-8) -0.14 1.34 -34.86 2 4 1 35 203.306 6
Lo Low (pH 4.5-6) -0.14 2.72 -99.51 3 4 2 40 204.314 6

Activity (Go SEA)

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