UCSF

ZINC34445409

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 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) 1.97 5.52 -36.79 2 3 1 33 246.256 2
Hi High (pH 8-9.5) 1.97 4.26 -5.06 1 3 0 28 245.248 2

Activity (Go SEA)

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