UCSF

ZINC44683801

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 2.52 5.63 -36.83 2 2 1 20 223.384 3
Mid Mid (pH 6-8) 2.52 6.95 -30.4 2 2 1 16 223.384 3
Mid Mid (pH 6-8) 2.52 7.97 -107.18 3 2 2 21 224.392 3

Activity (Go SEA)

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