UCSF

ZINC35620414

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 3.21 6.67 -33.14 3 2 1 30 251.369 4
Hi High (pH 8-9.5) 3.21 5.02 -2.47 2 2 0 29 250.361 4
Mid Mid (pH 6-8) 3.21 6.89 -119.8 4 2 2 32 252.377 4

Activity (Go SEA)

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