UCSF

ZINC19642384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.91 6.83 -96.82 3 3 2 29 256.434 4
Hi High (pH 8-9.5) 1.91 4.87 -34.99 2 3 1 28 255.426 4
Hi High (pH 8-9.5) 1.91 5.29 -33.42 2 3 1 28 255.426 4

Activity (Go SEA)

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