UCSF

ZINC37838747

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) 0.12 4.36 -70.5 1 6 0 82 266.363 8
Hi High (pH 8-9.5) 0.12 2.24 -50.95 0 6 -1 81 265.355 8

Activity (Go SEA)

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