UCSF

ZINC36871176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 0.70 3.59 -43.17 3 4 1 51 262.377 4
Hi High (pH 8-9.5) 0.70 3.27 -6.92 2 4 0 50 261.369 4
Mid Mid (pH 6-8) 0.70 5.81 -102.41 4 4 2 52 263.385 4

Activity (Go SEA)

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