UCSF

ZINC36155197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 2.80 3.08 -56.99 3 8 1 103 388.444 10
Hi High (pH 8-9.5) 2.80 1.94 -16.13 2 8 0 99 387.436 10

Activity (Go SEA)

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