UCSF

ZINC36746535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) -0.15 0.74 -19.26 4 5 0 80 238.316 5
Lo Low (pH 4.5-6) -0.15 1.21 -54.28 5 5 1 81 239.324 5

Activity (Go SEA)

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