UCSF

ZINC03608785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 12 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) -0.14 -0.62 -55.03 4 3 1 57 166.2 0
Mid Mid (pH 6-8) -0.14 -0.93 -6.88 3 3 0 55 165.192 0

Activity (Go SEA)

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