UCSF

ZINC08613169

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2007 24 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) -2.68 -3.06 -155.02 5 13 -2 212 361.207 4
Mid Mid (pH 6-8) -2.68 -4.22 -63.03 6 13 -1 209 362.215 4

Activity (Go SEA)

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