UCSF

ZINC13518275

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 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) 4.16 10.52 -11.44 2 6 0 76 425.488 6
Mid Mid (pH 6-8) 4.34 9.6 -48.11 1 6 -1 78 424.48 6

Activity (Go SEA)

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