UCSF

ZINC02387534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 27 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) 3.32 4.16 -13.69 3 7 0 100 363.373 5
Hi High (pH 8-9.5) 3.32 4.93 -56.29 2 7 -1 103 362.365 5
Lo Low (pH 4.5-6) 3.32 4.5 -36.08 4 7 1 102 364.381 5

Activity (Go SEA)

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