UCSF

ZINC09139705

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 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) 3.41 -5.1 -18.88 2 7 0 101 420.541 7
Hi High (pH 8-9.5) 3.41 -4.52 -46.84 1 7 -1 103 419.533 7

Activity (Go SEA)

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