UCSF

ZINC37112710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.10 4.84 -25.68 3 3 1 34 256.458 7
Hi High (pH 8-9.5) 2.10 4.81 -34.7 3 3 1 34 256.458 7
Mid Mid (pH 6-8) 2.10 5 -107.14 4 3 2 35 257.466 7
Mid Mid (pH 6-8) 2.10 7.09 -92.91 4 3 2 35 257.466 7

Activity (Go SEA)

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