UCSF

ZINC40189265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.62 8.99 -17.12 1 6 0 67 358.486 8
Lo Low (pH 4.5-6) 2.62 9.42 -31.21 2 6 1 68 359.494 8

Activity (Go SEA)

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