UCSF

ZINC62980260

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 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 5.7 -78.95 3 3 2 24 239.407 3
Hi High (pH 8-9.5) 1.10 3.32 -36.55 2 3 1 23 238.399 3
Lo Low (pH 4.5-6) 1.10 7.88 -179.65 4 3 3 25 240.415 3

Activity (Go SEA)

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