UCSF

ZINC03633897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 23 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) 3.75 9.45 -36.61 2 3 1 34 316.465 5
Hi High (pH 8-9.5) 3.75 7.03 -3.36 1 3 0 33 315.457 5

Activity (Go SEA)

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