UCSF

ZINC45654664

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.19 7.97 -85.14 3 3 2 21 255.45 5
Hi High (pH 8-9.5) 2.19 5.59 -33.62 2 3 1 20 254.442 5

Activity (Go SEA)

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