UCSF

ZINC36617119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 No

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) 3.93 10.42 -19.84 1 10 0 136 453.451 9
Mid Mid (pH 6-8) 3.93 11.34 -41.81 0 10 -1 139 452.443 9

Activity (Go SEA)

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