UCSF

ZINC37174995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 0.05 4.58 -7.27 3 5 0 75 252.343 3
Lo Low (pH 4.5-6) 0.05 5.03 -37.21 4 5 1 76 253.351 3

Activity (Go SEA)

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