UCSF

ZINC19021955

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2008 28 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) 4.18 9.47 -14.81 1 6 0 96 392.436 7
Hi High (pH 8-9.5) 4.18 9.53 -47.57 0 6 -1 98 391.428 7

Activity (Go SEA)

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