UCSF

ZINC33910823

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 38 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) 3.21 10.05 -61.99 0 9 -1 111 516.526 10
Lo Low (pH 4.5-6) 3.21 9.3 -19.24 1 9 0 108 517.534 10

Activity (Go SEA)

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