UCSF

ZINC37115406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.14 2.73 -55.28 3 5 -1 93 258.253 4
Lo Low (pH 4.5-6) 2.14 0.76 -11.73 4 5 0 90 259.261 4

Activity (Go SEA)

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