UCSF

ZINC41675190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 1.62 3.88 -94.36 5 5 2 67 302.507 13
Hi High (pH 8-9.5) 1.62 2.73 -37 4 5 1 63 301.499 13
Mid Mid (pH 6-8) 1.62 4.23 -84.69 5 5 2 67 302.507 13
Mid Mid (pH 6-8) 1.62 6.33 -175.85 6 5 3 69 303.515 13

Activity (Go SEA)

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