UCSF

ZINC28765271

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 24 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) 6.37 12.11 -139.46 4 2 2 33 408.2 7
Hi High (pH 8-9.5) 6.37 9.55 -4.1 2 2 0 24 406.184 7
Mid Mid (pH 6-8) 6.37 10.91 -46.06 3 2 1 29 407.192 7

Activity (Go SEA)

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