UCSF

ZINC76770951

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2012 18 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) 2.15 7.36 -34.68 1 4 1 34 255.382 6
Hi High (pH 8-9.5) 2.15 5.07 -4.32 0 4 0 33 254.374 6

Activity (Go SEA)

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