UCSF

ZINC06767822

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2006 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) 4.12 9.61 -10.53 0 4 0 36 310.397 5
Mid Mid (pH 6-8) 4.12 10.05 -30.88 1 4 1 38 311.405 5

Activity (Go SEA)

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