UCSF

ZINC36873334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 0.19 3.34 -43.12 3 4 1 61 222.312 5
Hi High (pH 8-9.5) 0.19 3.05 -11.01 2 4 0 59 221.304 5
Lo Low (pH 4.5-6) 0.19 3.77 -91.06 4 4 2 62 223.32 5

Activity (Go SEA)

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