UCSF

ZINC36352581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 3.67 7.08 -29.62 3 5 1 67 370.432 3
Ref Reference (pH 7) 3.01 8.39 -12.89 2 5 0 61 369.424 3

Activity (Go SEA)

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