UCSF

ZINC22754599

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 1.75 4.67 -46.34 3 6 1 79 303.386 5
Hi High (pH 8-9.5) 2.21 1.57 -41.15 1 6 -1 81 301.37 5
Mid Mid (pH 6-8) 2.21 3.86 -51.09 2 6 0 82 302.378 5

Activity (Go SEA)

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