UCSF

ZINC22786817

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 33 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) 3.95 12.14 -51.42 1 6 1 43 443.571 7
Mid Mid (pH 6-8) 3.95 9.76 -15.25 0 6 0 42 442.563 7
Mid Mid (pH 6-8) 3.95 12.14 -52.5 1 6 1 43 443.571 7
Lo Low (pH 4.5-6) 3.95 12.55 -87.93 2 6 2 45 444.579 7

Activity (Go SEA)

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