UCSF

ZINC24541341

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 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) 1.12 10.06 -46.3 1 7 1 88 368.413 10
Hi High (pH 8-9.5) 1.12 7.84 -17.74 0 7 0 87 367.405 10

Activity (Go SEA)

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