UCSF

ZINC44648007

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 1.35 6.13 -48.32 3 5 1 62 263.365 6
Hi High (pH 8-9.5) 1.35 4.79 -10.32 2 5 0 57 262.357 6
Mid Mid (pH 6-8) 1.35 6.32 -87.11 4 5 2 63 264.373 6

Activity (Go SEA)

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