UCSF

ZINC00200708

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.18 -0.35 -10.13 1 4 0 46 293.37 3
Mid Mid (pH 6-8) -0.23 -0.12 -32.26 2 4 1 48 294.378 3

Activity (Go SEA)

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