UCSF

ZINC19688448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 22 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) 1.33 3.35 -53.51 4 6 1 86 306.386 6
Mid Mid (pH 6-8) 1.33 5.27 -49.34 4 6 1 86 306.386 6
Mid Mid (pH 6-8) 1.33 5.59 -120.92 5 6 2 87 307.394 6

Activity (Go SEA)

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