UCSF

ZINC35765477

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 2.51 6.34 -113.17 4 3 2 41 264.413 6
Hi High (pH 8-9.5) 2.51 6.05 -27.6 3 3 1 40 263.405 6
Mid Mid (pH 6-8) 2.51 5.31 -41.93 3 3 1 40 263.405 6

Activity (Go SEA)

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