UCSF

ZINC02431872

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2004 24 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) 5.17 13.67 -11.94 0 4 0 43 422.113 2
Mid Mid (pH 6-8) 5.17 14.73 -50.11 2 4 1 47 423.121 2
Lo Low (pH 4.5-6) 5.17 14.19 -34.68 1 4 1 44 423.121 2

Activity (Go SEA)

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