UCSF

ZINC01409395

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 26 No

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) 5.87 8.35 -9.4 1 5 0 64 433.327 5
Mid Mid (pH 6-8) 5.38 7.93 -40.74 0 5 -1 63 432.319 6
Lo Low (pH 4.5-6) 5.38 8.32 -16.23 1 5 0 60 433.327 6

Activity (Go SEA)

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