UCSF

ZINC08701293

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 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) 3.25 5.44 -5.21 3 3 0 55 266.142 2
Mid Mid (pH 6-8) 3.25 5.44 -31.06 4 3 1 56 267.15 2
Mid Mid (pH 6-8) 3.25 5.26 -5.12 3 3 0 55 266.142 2

Activity (Go SEA)

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