UCSF

ZINC08740992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 31 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) 6.16 9.77 -10.5 2 5 0 67 412.489 7
Ref Reference (pH 7) 6.16 9.61 -11.93 2 5 0 67 412.489 7
Hi High (pH 8-9.5) 6.16 10.54 -47.2 1 5 -1 70 411.481 7
Hi High (pH 8-9.5) 6.16 10.39 -59.5 1 5 -1 70 411.481 7

Activity (Go SEA)

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