UCSF

ZINC21748776

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 36 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) 1.73 4.14 -42.86 0 10 -1 112 509.564 6
Mid Mid (pH 6-8) 1.73 4.07 -19.38 1 10 0 110 510.572 6

Activity (Go SEA)

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