UCSF

ZINC45696996

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.89 6.23 -107.69 4 4 2 65 263.385 8
Hi High (pH 8-9.5) 0.89 4.86 -39.61 3 4 1 60 262.377 8

Activity (Go SEA)

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