UCSF

ZINC34296661

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 30 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) 1.62 11.05 -104.02 2 7 0 91 415.465 6
Mid Mid (pH 6-8) -1.13 9.24 -82.76 3 7 1 94 416.473 5

Activity (Go SEA)

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