UCSF

ZINC37229421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 3.51 9.91 -109.91 3 3 2 30 292.467 9
Hi High (pH 8-9.5) 3.51 8.72 -35.68 2 3 1 26 291.459 9
Mid Mid (pH 6-8) 3.51 7.46 -43.37 2 3 1 29 291.459 9

Activity (Go SEA)

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