UCSF

ZINC43411780

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) -1.00 4.28 -53.57 2 7 0 94 307.416 6
Mid Mid (pH 6-8) -1.00 4.19 -83.6 1 7 -1 96 306.408 6

Activity (Go SEA)

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