UCSF

ZINC44722035

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 1.86 5.99 -107.86 4 4 2 51 292.423 6
Hi High (pH 8-9.5) 1.86 2.45 -4.67 2 4 0 45 290.407 6
Mid Mid (pH 6-8) 1.86 4.74 -33.2 3 4 1 46 291.415 6
Lo Low (pH 4.5-6) 1.86 3.7 -39.08 3 4 1 49 291.415 6

Activity (Go SEA)

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