UCSF

ZINC34681780

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 4.33 13.65 -47.42 2 5 1 50 419.524 5
Lo Low (pH 4.5-6) 4.33 13.95 -104.81 3 5 2 51 420.532 5

Activity (Go SEA)

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