UCSF

ZINC36191692

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.57 5.28 -121.17 4 3 2 35 263.429 4
Hi High (pH 8-9.5) 1.57 6.1 -103.12 4 3 2 35 263.429 4
Mid Mid (pH 6-8) 1.57 3.48 -47.63 3 3 1 34 262.421 4

Activity (Go SEA)

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