UCSF

ZINC43969160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.40 6.18 -34.07 2 3 1 29 251.394 8
Hi High (pH 8-9.5) 2.40 4.53 -1.76 1 3 0 24 250.386 8
Mid Mid (pH 6-8) 2.40 6.4 -30.34 2 3 1 26 251.394 8

Activity (Go SEA)

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