UCSF

ZINC41723886

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) -0.94 7.69 -46.04 3 4 1 50 245.35 3
Hi High (pH 8-9.5) -0.94 7.37 -8.27 2 4 0 49 244.342 3
Mid Mid (pH 6-8) -0.94 8.21 -83.97 4 4 2 52 246.358 3

Activity (Go SEA)

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