UCSF

ZINC21630502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 31 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) 4.49 8.71 -53.01 2 7 1 68 422.553 8
Mid Mid (pH 6-8) 4.49 6.34 -9.89 1 7 0 67 421.545 8

Activity (Go SEA)

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