UCSF

ZINC06144564

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 34 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) 5.98 15.57 -12.34 2 7 0 85 511.8 4
Hi High (pH 8-9.5) 6.16 14.49 -36.14 1 7 -1 86 510.792 4
Mid Mid (pH 6-8) 6.16 14.9 -29.51 3 7 1 90 512.808 4
Lo Low (pH 4.5-6) 5.98 14.86 -39.3 3 7 1 86 512.808 4

Activity (Go SEA)

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