UCSF

ZINC45691024

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.72 6.29 -30.88 3 3 1 40 291.459 6
Mid Mid (pH 6-8) 3.72 7.17 -35.03 3 3 1 37 291.459 6
Lo Low (pH 4.5-6) 3.72 8.31 -107.84 4 3 2 41 292.467 6

Activity (Go SEA)

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