UCSF

ZINC24094437

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 25 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) 3.57 5.3 -20.14 2 5 0 61 359.495 8
Mid Mid (pH 6-8) 3.57 7.76 -65.67 3 5 1 63 360.503 8

Activity (Go SEA)

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