UCSF

ZINC27188359

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 25 No

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) 4.00 8.44 -9.08 2 3 0 46 348.471 4
Lo Low (pH 4.5-6) 4.00 10.84 -43.29 3 3 1 48 349.479 4

Activity (Go SEA)

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