UCSF

ZINC06614153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 23 No

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) 3.77 7.5 -12.88 2 5 0 70 302.337 2
Hi High (pH 8-9.5) 4.23 5.6 -54.22 1 5 -1 73 301.329 2
Mid Mid (pH 6-8) 3.59 7.77 -84.71 4 5 2 69 304.353 3
Lo Low (pH 4.5-6) 4.23 5.2 -30.37 3 5 1 72 303.345 2

Activity (Go SEA)

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