UCSF

ZINC60708645

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 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) 2.75 7.06 -39.71 3 2 1 41 282.194 4
Hi High (pH 8-9.5) 2.75 6.81 -4.72 2 2 0 39 281.186 4
Lo Low (pH 4.5-6) 2.75 7.52 -94.98 4 2 2 42 283.202 4

Activity (Go SEA)

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