UCSF

ZINC70518127

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) 4.55 5.35 -38.16 4 3 1 57 294.459 6
Mid Mid (pH 6-8) 4.55 4.99 -3.88 3 3 0 55 293.451 6

Activity (Go SEA)

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