UCSF

ZINC03213821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 35 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) 4.01 -2.98 -27.79 2 8 0 102 511.003 6
Hi High (pH 8-9.5) 4.01 -2.49 -69.19 1 8 -1 104 509.995 6

Activity (Go SEA)

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