UCSF

ZINC37334227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 0.89 2.97 -42.07 3 4 1 62 222.264 4
Hi High (pH 8-9.5) 0.89 1.49 -44.12 1 4 -1 64 220.248 4
Mid Mid (pH 6-8) 0.89 0.56 -11.35 2 4 0 61 221.256 4

Activity (Go SEA)

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