UCSF

ZINC36135985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.96 6.3 -11.17 1 4 0 56 271.364 4
Lo Low (pH 4.5-6) 0.96 7.64 -47.08 2 4 1 61 272.372 4

Activity (Go SEA)

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