UCSF

ZINC37229400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 No

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) 2.70 9.39 -108.44 3 3 2 34 284.469 8
Hi High (pH 8-9.5) 2.70 8.02 -36.7 2 3 1 30 283.461 8
Mid Mid (pH 6-8) 2.70 7.16 -42.9 2 3 1 33 283.461 8

Activity (Go SEA)

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