UCSF

ZINC44290385

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 4.23 7.35 -40.44 0 3 -1 40 307.558 1
Mid Mid (pH 6-8) 4.23 7.81 -8.14 1 3 0 42 308.566 1

Activity (Go SEA)

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