UCSF

ZINC06484217

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 18 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) 2.12 3.04 -11.57 1 5 0 68 242.234 1
Mid Mid (pH 6-8) 2.12 2.4 -41.73 1 5 0 74 242.234 1
Lo Low (pH 4.5-6) 2.12 1.6 -32.86 2 5 1 71 243.242 1

Activity (Go SEA)

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