UCSF

ZINC35083154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 0.82 9.29 -69.64 1 5 0 65 268.357 3
Hi High (pH 8-9.5) 0.82 7.2 -59.02 0 5 -1 64 267.349 3
Lo Low (pH 4.5-6) 0.82 6.82 -47.07 2 5 1 62 269.365 3

Activity (Go SEA)

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