UCSF

ZINC34677263

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 28 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) 2.28 2.76 -43.79 3 7 1 83 391.536 9
Mid Mid (pH 6-8) 2.28 0.49 -8.11 2 7 0 82 390.528 9
Lo Low (pH 4.5-6) 2.28 2.8 -43.69 3 7 1 83 391.536 9

Activity (Go SEA)

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