UCSF

ZINC36190292

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.90 9.19 -77.95 2 6 1 66 289.359 3
Hi High (pH 8-9.5) 1.90 6.36 -60.88 0 6 -1 64 287.343 3
Mid Mid (pH 6-8) 1.90 6.81 -46.62 1 6 0 65 288.351 3
Lo Low (pH 4.5-6) 1.90 8.72 -61.53 1 6 0 65 288.351 3

Activity (Go SEA)

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