UCSF

ZINC13629868

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) 3.26 5.3 -15.91 1 6 0 72 367.401 4
Hi High (pH 8-9.5) 3.26 5.94 -46.4 0 6 -1 75 366.393 4

Activity (Go SEA)

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