UCSF

ZINC37076367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.06 8.9 -42.07 2 3 1 43 312.361 7
Mid Mid (pH 6-8) 3.06 7.92 -7.72 1 3 0 38 311.353 7

Activity (Go SEA)

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