UCSF

ZINC44115655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 0.08 -1.17 -6.3 1 5 0 51 243.303 1
Mid Mid (pH 6-8) 0.08 1.1 -32.17 2 5 1 52 244.311 1

Activity (Go SEA)

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