UCSF

ZINC44824666

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 0.96 4.4 -13.28 0 4 0 47 221.304 3
Mid Mid (pH 6-8) 0.96 6.61 -55.94 1 4 1 49 222.312 3

Activity (Go SEA)

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