UCSF

ZINC21784612

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 1.21 4.15 -21.67 4 9 0 136 418.475 8
Mid Mid (pH 6-8) 1.67 2.21 -51.23 3 9 -1 140 417.467 8
Mid Mid (pH 6-8) 1.21 3.62 -28.76 4 9 0 136 418.475 8

Activity (Go SEA)

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