UCSF

ZINC02380004

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 21 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) -1.19 0.64 -30.81 6 11 1 155 294.299 4
Mid Mid (pH 6-8) -1.19 -1.58 -7.43 5 11 0 154 293.291 4

Activity (Go SEA)

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