UCSF

ZINC36355098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 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) 1.17 1.7 -18.73 1 8 0 98 336.355 3
Ref Reference (pH 7) 0.98 4.4 -19.21 1 8 0 95 336.355 3
Lo Low (pH 4.5-6) 1.17 2.2 -49.28 2 8 1 100 337.363 3
Lo Low (pH 4.5-6) 0.98 4.9 -49.44 2 8 1 96 337.363 3

Activity (Go SEA)

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