UCSF

ZINC06238178

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 29 No

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) 4.47 7.14 -12.05 3 6 0 91 383.407 4
Hi High (pH 8-9.5) 4.47 7.92 -54.07 2 6 -1 94 382.399 4
Lo Low (pH 4.5-6) 4.47 7.48 -36.02 4 6 1 92 384.415 4

Activity (Go SEA)

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