UCSF

ZINC20776429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 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) 1.67 4.24 -36.86 0 5 -1 69 256.285 3
Lo Low (pH 4.5-6) 1.21 5.07 -10.52 1 5 0 66 257.293 3

Activity (Go SEA)

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