UCSF

ZINC23153634

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 29 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) 2.41 7.66 -44.78 3 6 1 71 407.623 7
Hi High (pH 8-9.5) 2.41 5.1 -17.13 2 6 0 70 406.615 7
Mid Mid (pH 6-8) 2.41 7.27 -50.13 3 6 1 71 407.623 7

Activity (Go SEA)

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