UCSF

ZINC00128831

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.82 7.06 -17.84 2 4 0 58 334.206 4
Mid Mid (pH 6-8) 3.88 5.75 -45.35 3 4 1 63 335.214 4
Lo Low (pH 4.5-6) 3.82 7.52 -42.43 3 4 1 59 335.214 4

Activity (Go SEA)

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