UCSF

ZINC37097528

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) 3.81 10.98 -31.53 1 3 0 45 307.39 6
Hi High (pH 8-9.5) 3.81 8.68 -53.09 0 3 -1 43 306.382 6

Activity (Go SEA)

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