UCSF

ZINC37786404

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 4.57 7.1 -34.41 2 2 1 20 255.47 7
Lo Low (pH 4.5-6) 4.57 9.22 -99.93 3 2 2 21 256.478 7

Activity (Go SEA)

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