UCSF

ZINC37856632

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) 1.54 3.07 -12.13 1 5 0 70 298.389 4
Mid Mid (pH 6-8) 1.99 0.88 -44.16 0 5 -1 73 297.381 4

Activity (Go SEA)

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