UCSF

ZINC63195902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 13 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) 0.43 1.59 -43.36 3 3 1 40 187.307 4
Mid Mid (pH 6-8) 0.43 3.03 -28.26 3 3 1 40 187.307 4
Mid Mid (pH 6-8) 0.43 3.33 -106.53 4 3 2 41 188.315 4

Activity (Go SEA)

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