UCSF

ZINC04386182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 25 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) 4.29 -1.2 -9.97 1 4 0 47 338.451 8
Mid Mid (pH 6-8) 4.29 -0.97 -31.43 2 4 1 48 339.459 8

Activity (Go SEA)

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