UCSF

ZINC36785617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 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) 1.72 6.56 -106.87 3 2 2 21 184.327 4
Hi High (pH 8-9.5) 1.72 4.4 -31.22 2 2 1 20 183.319 4
Mid Mid (pH 6-8) 1.72 5.43 -28.19 2 2 1 16 183.319 4

Activity (Go SEA)

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