UCSF

ZINC09707566

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 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) 1.99 0.82 -11.6 0 10 0 95 430.44 7
Mid Mid (pH 6-8) 1.99 1.12 -39.16 1 10 1 97 431.448 7

Activity (Go SEA)

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