UCSF

ZINC36873906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.91 4.62 -46.42 4 4 1 66 260.361 5
Hi High (pH 8-9.5) 0.91 4.31 -8.12 3 4 0 64 259.353 5
Hi High (pH 8-9.5) 0.91 4.92 -30.08 4 4 1 65 260.361 5
Mid Mid (pH 6-8) 0.91 5.21 -116.84 5 4 2 67 261.369 5

Activity (Go SEA)

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