UCSF

ZINC36305439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 15 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) -1.05 -0.43 -43.02 3 4 1 49 215.317 2
Hi High (pH 8-9.5) -1.05 -1.1 -3.35 2 4 0 48 214.309 2
Mid Mid (pH 6-8) -1.05 1.53 -121.47 4 4 2 51 216.325 2

Activity (Go SEA)

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