UCSF

ZINC21516080

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 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) 3.88 3.2 -50.93 3 6 -1 110 306.681 3
Mid Mid (pH 6-8) 3.88 4.24 -97.92 2 6 -2 113 305.673 3

Activity (Go SEA)

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