UCSF

ZINC03077830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 22 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) 3.00 5.79 -51.61 3 4 1 63 319.45 7
Hi High (pH 8-9.5) 3.00 4.56 -9.8 2 4 0 58 318.442 7

Activity (Go SEA)

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