UCSF

ZINC34992301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 4.42 11.73 -36.87 2 1 1 17 268.424 6
Hi High (pH 8-9.5) 4.42 10.8 -2.56 1 1 0 12 267.416 6

Activity (Go SEA)

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