UCSF

ZINC37332386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 1.82 7.1 -39.02 1 4 1 34 263.361 4
Mid Mid (pH 6-8) 1.82 4.71 -10.11 0 4 0 33 262.353 4

Activity (Go SEA)

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