UCSF

ZINC36667617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.92 7.59 -44.41 2 4 1 49 262.377 7
Hi High (pH 8-9.5) 1.92 5.18 -7.87 1 4 0 48 261.369 7
Mid Mid (pH 6-8) 1.92 5.44 -49.84 2 4 1 53 262.377 7
Mid Mid (pH 6-8) 1.92 7.5 -130.05 3 4 2 54 263.385 7

Activity (Go SEA)

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