UCSF

ZINC03957509

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 23 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) 4.77 10.9 -48.13 0 3 -1 53 301.321 2
Mid Mid (pH 6-8) 4.77 10.46 -13.18 1 3 0 50 302.329 2

Activity (Go SEA)

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