UCSF

ZINC36354977

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 22 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) 2.75 7.05 -9.23 1 4 0 50 313.357 2
Ref Reference (pH 7) 2.57 9.7 -10.07 1 4 0 47 313.357 2
Lo Low (pH 4.5-6) 2.57 10.16 -44.93 2 4 1 48 314.365 2

Activity (Go SEA)

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