UCSF

ZINC01020330

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 30 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 4.08 -17.9 2 9 0 122 434.47 7
Hi High (pH 8-9.5) 3.00 5.09 -53.94 1 9 -1 125 433.462 7

Activity (Go SEA)

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