UCSF

ZINC34951636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 3.57 11.17 -10.19 2 9 0 101 490.608 7
Mid Mid (pH 6-8) 3.57 13.43 -46.84 3 9 1 103 491.616 7

Activity (Go SEA)

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