UCSF

ZINC36379269

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 32 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) 4.19 10.35 -11.81 1 7 0 81 437.54 5
Lo Low (pH 4.5-6) 4.19 10.73 -32.17 2 7 1 82 438.548 5

Activity (Go SEA)

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