UCSF

ZINC20968790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 27 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) 4.97 11.08 -18.69 1 5 0 79 435.361 6
Hi High (pH 8-9.5) 5.15 10.02 -44.19 0 5 -1 85 434.353 6

Activity (Go SEA)

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