UCSF

ZINC70040077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 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) 3.06 7.77 -34.41 1 4 1 26 315.437 7
Mid Mid (pH 6-8) 3.06 7.67 -38.39 1 4 1 26 315.437 7
Mid Mid (pH 6-8) 3.06 5.43 -6.65 0 4 0 25 314.429 7

Activity (Go SEA)

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