UCSF

ZINC20596771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) -0.04 2.84 -75.87 1 7 0 79 253.306 5
Hi High (pH 8-9.5) -0.04 0.53 -51.53 0 7 -1 77 252.298 5
Mid Mid (pH 6-8) -0.04 2.84 -76.97 1 7 0 79 253.306 5

Activity (Go SEA)

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