UCSF

ZINC36790464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 1.99 8.55 -118.13 4 2 2 32 262.441 4
Hi High (pH 8-9.5) 1.99 6.65 -1.28 2 2 0 29 260.425 4
Mid Mid (pH 6-8) 1.99 8.63 -34.14 3 2 1 30 261.433 4
Mid Mid (pH 6-8) 1.99 6.65 -37.91 3 2 1 31 261.433 4

Activity (Go SEA)

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