UCSF

ZINC09636313

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 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) 5.26 7.79 -53.49 0 6 -1 84 423.514 8
Mid Mid (pH 6-8) 4.80 8.64 -21.49 1 6 0 81 424.522 8

Activity (Go SEA)

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