UCSF

ZINC34992129

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 6.23 11.64 -31.3 2 1 1 17 323.287 5
Mid Mid (pH 6-8) 6.23 10.51 -2.57 1 1 0 12 322.279 5

Activity (Go SEA)

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