UCSF

ZINC04128119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 23 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) 2.34 -1.28 -53.01 1 5 -1 82 307.329 3
Lo Low (pH 4.5-6) 2.34 -1.19 -58.32 2 5 0 83 308.337 3

Activity (Go SEA)

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