UCSF

ZINC42774995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.97 8.3 -34.27 1 3 1 31 315.231 7
Mid Mid (pH 6-8) 2.97 6.3 -6.82 0 3 0 30 314.223 7

Activity (Go SEA)

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