UCSF

ZINC37849117

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.28 2.47 -42.5 3 4 1 49 271.425 8
Mid Mid (pH 6-8) 1.28 3.5 -33.99 3 4 1 46 271.425 8
Lo Low (pH 4.5-6) 1.28 4.79 -111.6 4 4 2 51 272.433 8

Activity (Go SEA)

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