UCSF

ZINC37849115

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.00 1.87 -42.3 3 4 1 49 259.414 9
Mid Mid (pH 6-8) 1.00 2.9 -33.82 3 4 1 46 259.414 9
Lo Low (pH 4.5-6) 1.00 4.19 -111.05 4 4 2 51 260.422 9

Activity (Go SEA)

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