UCSF

ZINC45704127

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 1.95 3.84 -36.04 3 4 1 49 273.441 10
Mid Mid (pH 6-8) 1.95 5.49 -31.89 3 4 1 46 273.441 10
Lo Low (pH 4.5-6) 1.95 5.28 -111.87 4 4 2 51 274.449 10

Activity (Go SEA)

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