UCSF

ZINC58552779

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 19 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) 1.64 5.5 -36.18 3 4 1 46 268.425 7
Lo Low (pH 4.5-6) 1.64 6.74 -102.16 4 4 2 50 269.433 7

Activity (Go SEA)

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