UCSF

ZINC20528618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 28 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) 1.34 5.37 -75.96 3 6 0 97 384.407 8
Hi High (pH 8-9.5) 1.34 3.89 -58.85 2 6 -1 93 383.399 8
Lo Low (pH 4.5-6) 1.34 4.54 -57.82 4 6 1 94 385.415 8

Activity (Go SEA)

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