UCSF

ZINC28925713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 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) 4.69 9.47 -54.66 2 3 1 35 385.709 6
Hi High (pH 8-9.5) 4.69 8.22 -6.65 1 3 0 30 384.701 6

Activity (Go SEA)

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