UCSF

ZINC36678401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 12 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) 0.28 2.99 -11.69 1 4 0 62 170.212 6
Lo Low (pH 4.5-6) 0.28 4.03 -47.97 2 4 1 67 171.22 6

Activity (Go SEA)

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