UCSF

ZINC28765083

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 28 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) 8.40 14.47 -154.19 4 2 2 33 464.308 11
Mid Mid (pH 6-8) 8.40 13.18 -53.49 3 2 1 29 463.3 11

Activity (Go SEA)

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