UCSF

ZINC36326131

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 21 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) 1.10 4.45 -46.64 3 4 1 49 293.431 7
Hi High (pH 8-9.5) 1.10 4.3 -4.29 2 4 0 48 292.423 7
Lo Low (pH 4.5-6) 1.10 6.48 -133.04 4 4 2 51 294.439 7

Activity (Go SEA)

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