UCSF

ZINC19795715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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
Ref Reference (pH 7) -0.12 2.48 -100.43 4 4 2 48 211.309 3
Mid Mid (pH 6-8) -0.12 0.02 -47 3 4 1 47 210.301 3

Activity (Go SEA)

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