UCSF

ZINC35773439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 0.29 1.16 -11.3 2 5 0 61 237.303 3
Mid Mid (pH 6-8) 0.29 3.35 -40.86 3 5 1 62 238.311 3

Activity (Go SEA)

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