UCSF

ZINC34937079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 2.49 5.46 -11.73 1 3 0 46 242.731 2
Hi High (pH 8-9.5) 2.95 3.22 -44.08 0 3 -1 49 241.723 2

Activity (Go SEA)

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