UCSF

ZINC34380072

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 17 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) 0.90 2.69 -25.35 1 4 0 46 255.236 3
Hi High (pH 8-9.5) 0.90 -0.08 -5.26 1 4 0 42 255.236 3
Mid Mid (pH 6-8) 0.90 2.2 -38.92 2 4 1 43 256.244 3

Activity (Go SEA)

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