UCSF

ZINC36863212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -0.30 -1.41 -14.51 5 6 0 100 191.194 2
Lo Low (pH 4.5-6) -0.30 -1.56 -54.71 6 6 1 101 192.202 2

Activity (Go SEA)

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