UCSF

ZINC01152936

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 33 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) 3.99 11.5 -42.43 0 7 -1 100 465.482 6
Mid Mid (pH 6-8) 3.40 1.24 -16.73 0 7 0 93 466.49 6

Activity (Go SEA)

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