UCSF

ZINC49603422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 23 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) 3.05 12.25 -100.37 2 4 2 35 306.413 3
Mid Mid (pH 6-8) 3.05 9.6 -7.17 0 4 0 32 304.397 3
Mid Mid (pH 6-8) 3.05 10.06 -29.79 1 4 1 34 305.405 3
Mid Mid (pH 6-8) 3.05 10.05 -28.67 1 4 1 34 305.405 3
Lo Low (pH 4.5-6) 3.05 12.27 -86.69 2 4 2 35 306.413 3

Activity (Go SEA)

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