UCSF

ZINC43394789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 4.20 8.1 -5.6 1 2 0 36 242.366 3
Mid Mid (pH 6-8) 4.20 9.23 -43.57 2 2 1 40 243.374 3

Activity (Go SEA)

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