UCSF

ZINC33763507

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 2.20 7.91 -58.52 1 7 -1 103 429.452 7
Lo Low (pH 4.5-6) 2.20 6.61 -23.14 2 7 0 100 430.46 7

Activity (Go SEA)

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