UCSF

ZINC14229817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 23 No

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) 3.60 6.6 -49.18 0 7 -1 107 348.385 4
Mid Mid (pH 6-8) 4.52 6.87 -16.31 1 7 0 108 349.393 3

Activity (Go SEA)

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