UCSF

ZINC41292406

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 28 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) 3.18 10.86 -18.51 0 5 0 41 374.488 5
Mid Mid (pH 6-8) 3.18 13.1 -64.14 1 5 1 43 375.496 5
Mid Mid (pH 6-8) 3.18 11.3 -35.42 1 5 1 43 375.496 5
Lo Low (pH 4.5-6) 3.18 13.54 -96.6 2 5 2 44 376.504 5

Activity (Go SEA)

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