UCSF

ZINC01167279

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 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) 3.53 -7.86 -15.53 2 7 0 101 418.496 7
Hi High (pH 8-9.5) 3.53 -6.7 -95.67 0 7 -2 105 416.48 7
Hi High (pH 8-9.5) 3.53 -7.28 -44.24 1 7 -1 103 417.488 7
Hi High (pH 8-9.5) 3.53 -7.28 -46.06 1 7 -1 103 417.488 7

Activity (Go SEA)

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