UCSF

ZINC37835759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.12 3.34 -55.15 1 7 -1 99 271.293 8
Lo Low (pH 4.5-6) -0.12 1.34 -15.02 2 7 0 96 272.301 8

Activity (Go SEA)

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