UCSF

ZINC36964873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 2.15 4.83 -5.46 0 5 0 58 256.689 3
Lo Low (pH 4.5-6) 2.15 7.1 -41.28 1 5 1 59 257.697 3

Activity (Go SEA)

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