UCSF

ZINC03377355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 26 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) 3.66 9.44 -18.21 2 4 0 58 348.377 5
Lo Low (pH 4.5-6) 3.79 5.25 -31.93 3 4 1 67 349.385 5
Lo Low (pH 4.5-6) 3.79 5.43 -28.42 3 4 1 67 349.385 5

Activity (Go SEA)

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