UCSF

ZINC37533979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 18 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) 1.89 7.79 -46.19 3 1 1 28 248.296 3
Hi High (pH 8-9.5) 1.89 7.48 -4.31 2 1 0 26 247.288 3

Activity (Go SEA)

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