UCSF

ZINC03932207

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 27 No

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) 3.78 9.57 -13.64 1 4 0 49 372.553 3
Mid Mid (pH 6-8) 3.57 -0.7 -43.55 1 4 1 51 373.561 3

Activity (Go SEA)

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