UCSF

ZINC20057711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 36 No

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) 4.13 12.48 -73.1 1 8 0 100 494.588 12
Hi High (pH 8-9.5) 4.13 10.15 -56.14 0 8 -1 99 493.58 12
Lo Low (pH 4.5-6) 4.13 11.67 -57.13 2 8 1 98 495.596 12

Activity (Go SEA)

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