UCSF

ZINC34449053

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) -1.98 -5.1 -17.82 5 10 0 157 333.272 5
Hi High (pH 8-9.5) -1.52 -6.76 -58.04 4 10 -1 160 332.264 5
Mid Mid (pH 6-8) -1.98 -4.78 -58.64 6 10 1 159 334.28 5

Activity (Go SEA)

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