UCSF

ZINC34987023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 No

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) 3.67 9.73 -63.5 4 6 1 84 385.532 11
Hi High (pH 8-9.5) 3.67 10.95 -96.72 3 6 0 87 384.524 11
Mid Mid (pH 6-8) 3.67 10.02 -111.16 5 6 2 85 386.54 11

Activity (Go SEA)

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