UCSF

ZINC43405304

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.67 7.65 -105.63 4 4 2 58 284.407 5
Hi High (pH 8-9.5) 1.67 7.22 -49.64 3 4 1 57 283.399 5
Mid Mid (pH 6-8) 1.67 8.11 -169 5 4 3 59 285.415 5

Activity (Go SEA)

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