UCSF

ZINC21805686

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 1.59 4.73 -53.5 2 6 -1 100 305.383 3
Mid Mid (pH 6-8) 1.59 4.68 -15.26 3 6 0 98 306.391 3

Activity (Go SEA)

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