UCSF

ZINC70514476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.34 3.36 -25.17 3 5 1 59 303.467 13
Hi High (pH 8-9.5) 1.34 3.43 -31.43 3 5 1 55 303.467 13
Mid Mid (pH 6-8) 1.34 3.79 -93.43 4 5 2 60 304.475 13

Activity (Go SEA)

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