UCSF

ZINC27270650

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 21 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) 1.57 2.15 -14.7 2 6 0 74 302.359 3
Lo Low (pH 4.5-6) 1.57 2.41 -47.96 3 6 1 76 303.367 3

Activity (Go SEA)

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