UCSF

ZINC42091461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 25 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) 2.19 6.78 -16.04 2 6 0 88 342.443 7
Hi High (pH 8-9.5) 2.65 4.92 -56.51 1 6 -1 91 341.435 7
Lo Low (pH 4.5-6) 2.19 7.24 -51.43 3 6 1 89 343.451 7

Activity (Go SEA)

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