UCSF

ZINC70303424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 18 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) 0.69 6.17 -60.29 2 5 0 77 252.314 5
Hi High (pH 8-9.5) 0.69 4.72 -51.91 1 5 -1 72 251.306 5
Lo Low (pH 4.5-6) 0.69 4.32 -45.34 3 5 1 74 253.322 5

Activity (Go SEA)

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