UCSF

ZINC72328215

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2012 23 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) 3.10 6.67 -10.4 2 4 0 58 313.307 4
Mid Mid (pH 6-8) 3.10 6.75 -9.67 2 4 0 58 313.307 4

Activity (Go SEA)

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