UCSF

ZINC16599688

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 24 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) 2.35 6.99 -45.36 3 5 1 63 326.42 7
Mid Mid (pH 6-8) 2.35 5.1 -10.13 2 5 0 61 325.412 7

Activity (Go SEA)

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