UCSF

ZINC04386010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 29 Yes

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) 3.92 0.7 -15.57 0 5 0 47 389.499 9
Mid Mid (pH 6-8) 3.92 0.88 -42.04 1 5 1 48 390.507 9

Activity (Go SEA)

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