UCSF

ZINC43247728

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 3.20 4.99 -39.33 3 2 1 31 255.451 7
Hi High (pH 8-9.5) 3.20 4.71 -2.67 2 2 0 29 254.443 7
Mid Mid (pH 6-8) 3.20 6.73 -29.51 3 2 1 30 255.451 7
Mid Mid (pH 6-8) 3.20 7.04 -104.48 4 2 2 32 256.459 7

Activity (Go SEA)

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