UCSF

ZINC37856238

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.56 -1.96 -43.96 1 7 -1 101 327.363 3
Hi High (pH 8-9.5) 1.56 -1.91 -100.77 0 7 -2 103 326.355 3
Mid Mid (pH 6-8) 1.10 0.22 -41.82 1 7 -1 100 327.363 3
Mid Mid (pH 6-8) 1.10 0.1 -12.55 2 7 0 97 328.371 3

Activity (Go SEA)

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