UCSF

ZINC45650500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.12 2.14 -57.74 4 5 1 83 311.427 6
Hi High (pH 8-9.5) 1.12 1.74 -10.85 3 5 0 81 310.419 6

Activity (Go SEA)

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