UCSF

ZINC58439154

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2011 24 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) 1.45 5.31 -48.86 2 7 1 72 337.444 6
Hi High (pH 8-9.5) 1.45 3.13 -10.86 1 7 0 71 336.436 6
Mid Mid (pH 6-8) 1.45 7.59 -104.01 3 7 2 73 338.452 6

Activity (Go SEA)

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