UCSF

ZINC43703034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) -0.78 0.11 -54.25 1 8 -1 120 307.329 3
Mid Mid (pH 6-8) -0.33 -2.03 -95.63 0 8 -2 123 306.321 3

Activity (Go SEA)

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