UCSF

ZINC37140915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 4.17 8.12 -35.22 2 2 1 20 253.454 8
Mid Mid (pH 6-8) 4.17 9.45 -29.45 2 2 1 16 253.454 8
Lo Low (pH 4.5-6) 4.17 10.33 -99.41 3 2 2 21 254.462 8

Activity (Go SEA)

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