UCSF

ZINC02686398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 27 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) 1.87 -10.01 -19.86 3 8 0 121 411.505 8
Hi High (pH 8-9.5) 1.87 -9.44 -50.46 2 8 -1 123 410.497 8

Activity (Go SEA)

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