UCSF

ZINC00716086

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 25 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) 1.80 0.69 -15.69 2 9 0 109 363.399 6
Hi High (pH 8-9.5) 1.80 1.45 -59.9 1 9 -1 112 362.391 6
Lo Low (pH 4.5-6) 1.80 0.94 -42.63 3 9 1 111 364.407 6

Activity (Go SEA)

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