UCSF

ZINC62951787

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.22 6.22 -117.19 4 3 2 45 252.402 5
Mid Mid (pH 6-8) 2.22 6.23 -29.09 3 3 1 44 251.394 5
Mid Mid (pH 6-8) 2.22 4.56 -43.91 3 3 1 44 251.394 5

Activity (Go SEA)

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