UCSF

ZINC44685345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.53 7.48 -35.8 2 2 1 20 251.438 5
Mid Mid (pH 6-8) 3.53 9.18 -30.01 2 2 1 16 251.438 5
Mid Mid (pH 6-8) 3.53 9.83 -107.3 3 2 2 21 252.446 5

Activity (Go SEA)

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