UCSF

ZINC00187083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 17 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) 0.97 5.08 -40.03 1 5 1 53 235.263 1
Mid Mid (pH 6-8) 0.97 4.66 -12.75 0 5 0 52 234.255 1

Activity (Go SEA)

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