UCSF

ZINC36860820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -0.21 0.19 -10.28 3 5 0 71 195.222 1
Mid Mid (pH 6-8) -0.65 -0.98 -53.32 3 5 1 70 196.23 1

Activity (Go SEA)

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