UCSF

ZINC36150588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 1.20 5.09 -57.44 0 7 -1 95 334.377 4
Lo Low (pH 4.5-6) 1.20 5.1 -18.09 1 7 0 93 335.385 4

Activity (Go SEA)

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