UCSF

ZINC37806698

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 2.32 7.06 -7.04 1 3 0 32 272.392 4
Lo Low (pH 4.5-6) 2.32 8.44 -36.93 2 3 1 37 273.4 4

Activity (Go SEA)

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