UCSF

ZINC36669474

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 2.22 3.95 -35.9 4 3 1 61 193.27 5
Hi High (pH 8-9.5) -0.69 4.13 -8.84 4 3 0 61 192.262 5

Activity (Go SEA)

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