UCSF

ZINC13534605

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 Yes

Other Names:

MFCD08898858

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) 1.81 3.31 -13.28 3 4 0 68 193.25 4
Mid Mid (pH 6-8) 1.81 3.08 -27.68 4 4 1 69 194.258 4

Activity (Go SEA)

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