UCSF

ZINC37246131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 36 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) 6.68 14.19 -55.95 1 5 -1 87 495.68 7
Lo Low (pH 4.5-6) 6.68 12.22 -9.75 2 5 0 84 496.688 7

Activity (Go SEA)

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