UCSF

ZINC01297632

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 4.83 6.74 -12.44 2 5 0 75 394.374 4
Ref Reference (pH 7) 4.34 6.34 -41.47 1 5 -1 74 393.366 5
Hi High (pH 8-9.5) 5.29 5.19 -42.6 1 5 -1 78 393.366 4

Activity (Go SEA)

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