UCSF

ZINC62965769

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) 0.70 4.42 -80.21 3 3 2 24 213.369 3
Hi High (pH 8-9.5) 0.70 2.01 -38.16 2 3 1 23 212.361 3
Lo Low (pH 4.5-6) 0.70 6.66 -180.54 4 3 3 25 214.377 3

Activity (Go SEA)

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