UCSF

ZINC44261979

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) -1.11 -2.31 -13.63 2 7 0 91 302.331 4
Hi High (pH 8-9.5) -1.11 -2.71 -42.48 1 7 -1 93 301.323 4
Mid Mid (pH 6-8) -1.11 -1.02 -57.19 3 7 1 96 303.339 4

Activity (Go SEA)

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