UCSF

ZINC35679377

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 0.69 0.7 -56.08 3 5 1 68 304.461 5
Mid Mid (pH 6-8) 0.69 2.93 -102.17 4 5 2 69 305.469 5

Activity (Go SEA)

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