UCSF

ZINC34677888

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 1.16 6.42 -49.18 2 9 1 95 462.615 9
Mid Mid (pH 6-8) 1.16 4.13 -10.37 1 9 0 93 461.607 9

Activity (Go SEA)

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