UCSF

ZINC45663003

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.51 4.5 -42.1 4 5 1 63 313.853 8
Mid Mid (pH 6-8) 2.51 4.94 -37.28 4 5 1 63 313.853 8
Lo Low (pH 4.5-6) 2.51 6.98 -112.1 5 5 2 64 314.861 8

Activity (Go SEA)

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