UCSF

ZINC49932505

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 16 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) 2.77 5.97 -4.89 0 3 0 30 306.225 7
Mid Mid (pH 6-8) 2.77 8.38 -43.24 1 3 1 31 307.233 7

Activity (Go SEA)

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