UCSF

ZINC33724421

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 15 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) 1.73 4.86 -69.56 1 3 0 40 202.257 2
Hi High (pH 8-9.5) 1.73 1.53 -7.91 1 3 0 36 202.257 2
Mid Mid (pH 6-8) 1.73 4.31 -42.5 2 3 1 38 203.265 2

Activity (Go SEA)

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