UCSF

ZINC34991392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.46 8.43 -51.82 2 4 1 44 260.361 8
Hi High (pH 8-9.5) 1.46 7.08 -7.78 1 4 0 39 259.353 8
Mid Mid (pH 6-8) 1.46 8.95 -89.12 3 4 2 45 261.369 8

Activity (Go SEA)

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