UCSF

ZINC34625778

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 1.58 5.62 -18.99 3 9 0 128 405.382 3
Mid Mid (pH 6-8) 1.21 3.17 -46.2 2 9 -1 134 404.374 3

Activity (Go SEA)

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