UCSF

ZINC37000632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 6.28 11.15 -3.79 1 1 0 12 387.148 5
Lo Low (pH 4.5-6) 6.28 11.47 -40.87 2 1 1 17 388.156 5

Activity (Go SEA)

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