UCSF

ZINC37819977

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -1.20 -1.62 -52.95 4 6 1 94 264.371 4
Hi High (pH 8-9.5) -1.20 -1.95 -15.22 3 6 0 93 263.363 4

Activity (Go SEA)

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