UCSF

ZINC31555857

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 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) 4.05 6.65 -36.24 0 6 -1 94 417.204 4
Mid Mid (pH 6-8) 4.05 6.58 -10.37 1 6 0 92 418.212 4

Activity (Go SEA)

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