UCSF

ZINC13617544

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 29 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) 7.21 13.81 -17.97 1 5 0 75 444.705 4
Mid Mid (pH 6-8) 7.21 14.15 -42.74 2 5 1 76 445.713 4

Activity (Go SEA)

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