UCSF

ZINC44723697

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.93 3.48 -97.28 4 4 2 51 234.384 10
Hi High (pH 8-9.5) 0.93 2.26 -32.43 3 4 1 46 233.376 10
Mid Mid (pH 6-8) 0.93 3.92 -39.11 3 4 1 53 233.376 10

Activity (Go SEA)

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