UCSF

ZINC34355618

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 12 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) 0.20 0.76 -29.75 3 3 1 37 173.28 3
Mid Mid (pH 6-8) 0.20 -1.4 -2.69 2 3 0 35 172.272 3
Mid Mid (pH 6-8) 0.20 -0.07 -36.46 3 3 1 40 173.28 3
Lo Low (pH 4.5-6) 0.20 2.11 -107.72 4 3 2 41 174.288 3

Activity (Go SEA)

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