UCSF

ZINC37832975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.25 5.81 -53.57 0 5 -1 70 252.29 2
Lo Low (pH 4.5-6) 1.25 4.22 -13.14 1 5 0 67 253.298 2

Activity (Go SEA)

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