UCSF

ZINC04884416

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 27 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) 2.35 -3.61 -18.28 1 7 0 84 390.461 6
Hi High (pH 8-9.5) 2.35 -3.03 -57.23 0 7 -1 87 389.453 6

Activity (Go SEA)

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