UCSF

ZINC00358004

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.66 9.37 -16.26 1 4 0 55 309.394 4
Hi High (pH 8-9.5) 3.73 7.7 -52.47 0 4 -1 61 308.386 4

Activity (Go SEA)

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