UCSF

ZINC44685254

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 2.41 6.17 -39.77 2 2 1 20 221.368 4
Hi High (pH 8-9.5) 2.41 5.01 -1.23 1 2 0 15 220.36 4
Mid Mid (pH 6-8) 2.41 8.56 -112.25 3 2 2 21 222.376 4
Mid Mid (pH 6-8) 2.41 7.4 -30.11 2 2 1 16 221.368 4

Activity (Go SEA)

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