UCSF

ZINC08637029

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2007 35 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) 7.02 11.06 -64.75 4 6 2 86 458.521 6
Hi High (pH 8-9.5) 6.96 8.47 -59.21 1 6 -1 94 455.497 4

Activity (Go SEA)

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