UCSF

ZINC37076648

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) 3.50 9.46 -34.27 2 3 1 43 308.398 7
Mid Mid (pH 6-8) 3.50 8.45 -5.3 1 3 0 38 307.39 7

Activity (Go SEA)

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