UCSF

ZINC42915766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.41 6.22 -39.58 3 2 1 31 301.376 7
Hi High (pH 8-9.5) 3.41 6.47 -2.84 2 2 0 29 300.368 7
Mid Mid (pH 6-8) 3.41 8.18 -108.19 4 2 2 32 302.384 7

Activity (Go SEA)

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