UCSF

ZINC13815841

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 17 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) 1.49 3.51 -51.12 0 4 -1 61 247.299 3
Mid Mid (pH 6-8) 1.49 3.47 -11.48 1 4 0 59 248.307 3
Mid Mid (pH 6-8) 1.49 4.01 -37.62 1 4 0 62 248.307 3

Activity (Go SEA)

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