UCSF

ZINC45663029

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.86 3.97 -39.79 4 5 1 63 279.408 8
Mid Mid (pH 6-8) 1.86 4.41 -36.34 4 5 1 63 279.408 8
Lo Low (pH 4.5-6) 1.86 6.44 -108.51 5 5 2 64 280.416 8

Activity (Go SEA)

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