UCSF

ZINC36837732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) -2.51 0.77 -56.42 3 8 -1 135 254.222 5
Mid Mid (pH 6-8) -2.05 -1.08 -95.99 2 8 -2 138 253.214 5

Activity (Go SEA)

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