UCSF

ZINC19361104

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 28 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) 3.47 10.27 -48.29 1 5 1 35 385.528 9
Hi High (pH 8-9.5) 3.47 7.89 -9.04 0 5 0 34 384.52 9
Mid Mid (pH 6-8) 3.47 10.21 -51.3 1 5 1 35 385.528 9

Activity (Go SEA)

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