UCSF

ZINC42409322

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 1.97 6 -95.62 3 2 2 21 186.343 4
Hi High (pH 8-9.5) 1.97 4.56 -28.5 2 2 1 16 185.335 4
Mid Mid (pH 6-8) 1.97 3.94 -36.73 2 2 1 20 185.335 4

Activity (Go SEA)

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