UCSF

ZINC33816975

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 18 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) 3.06 5.62 -46.27 2 4 0 66 283.114 2
Mid Mid (pH 6-8) 3.06 4.26 -7.88 2 4 0 62 283.114 2
Mid Mid (pH 6-8) 3.06 5.13 -48.86 1 4 -1 65 282.106 2
Lo Low (pH 4.5-6) 3.06 4.68 -47.24 3 4 1 63 284.122 2

Activity (Go SEA)

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