UCSF

ZINC44412544

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 16 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) 1.06 2.96 -14.13 3 5 0 71 222.292 5
Mid Mid (pH 6-8) 1.06 3.48 -28.89 4 5 1 72 223.3 5

Activity (Go SEA)

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