UCSF

ZINC08627344

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2007 17 No

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) 2.38 7.12 -41.2 0 3 -1 57 227.239 2
Mid Mid (pH 6-8) 2.38 6.21 -25.61 1 3 0 54 228.247 2
Mid Mid (pH 6-8) 1.50 6.92 -9.53 0 3 0 51 228.247 2

Activity (Go SEA)

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