UCSF

ZINC03958717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 33 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) 1.10 10.27 -53.46 2 9 1 102 469.591 7
Mid Mid (pH 6-8) 1.10 9.95 -27.49 1 9 0 100 468.583 7

Activity (Go SEA)

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