UCSF

ZINC00523113

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 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) 3.56 11.24 -17.73 0 6 0 62 348.406 5
Mid Mid (pH 6-8) 3.57 12.61 -48.41 2 6 1 66 349.414 5
Lo Low (pH 4.5-6) 3.56 11.56 -36.7 1 6 1 63 349.414 5

Activity (Go SEA)

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