UCSF

ZINC36788750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 3.01 5.58 -116.63 4 2 2 32 216.413 8
Mid Mid (pH 6-8) 3.01 4.71 -39.5 3 2 1 31 215.405 8
Mid Mid (pH 6-8) 3.01 6.55 -25.8 3 2 1 30 215.405 8

Activity (Go SEA)

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