UCSF

ZINC38610016

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 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) 3.55 8.55 -15.18 2 7 0 91 438.487 7
Mid Mid (pH 6-8) 3.55 9.33 -54.44 1 7 -1 94 437.479 7
Lo Low (pH 4.5-6) 3.55 9 -48.11 3 7 1 93 439.495 7

Activity (Go SEA)

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