UCSF

ZINC13633783

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 16 No

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) 1.18 1.26 -16.21 2 5 0 74 235.268 3
Hi High (pH 8-9.5) 0.65 2.97 -48.19 1 5 -1 77 234.26 2
Mid Mid (pH 6-8) 1.18 2.34 -34.16 3 5 1 76 236.276 3

Activity (Go SEA)

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