UCSF

ZINC15937164

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 3.00 7.1 -17.42 2 10 0 113 496.564 9
Mid Mid (pH 6-8) 3.00 9.38 -58.62 3 10 1 115 497.572 9

Activity (Go SEA)

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