UCSF

ZINC45195757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 27 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) 4.16 8.06 -72.69 3 5 2 43 386.927 5
Hi High (pH 8-9.5) 4.16 5.69 -26.74 2 5 1 42 385.919 5
Hi High (pH 8-9.5) 4.16 5.3 -7.42 1 5 0 41 384.911 5
Mid Mid (pH 6-8) 4.16 7.95 -86.15 3 5 2 43 386.927 5

Activity (Go SEA)

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