UCSF

ZINC19370527

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 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) 1.62 5.6 -47.21 1 5 1 45 338.497 4
Hi High (pH 8-9.5) 1.62 3.13 -10.4 0 5 0 44 337.489 4
Mid Mid (pH 6-8) 1.62 5.41 -50.32 1 5 1 45 338.497 4

Activity (Go SEA)

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