UCSF

ZINC40930038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 26 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) 5.24 12.02 -11.7 1 4 0 51 366.486 6
Hi High (pH 8-9.5) 5.43 9.55 -46.19 0 4 -1 58 365.478 6

Activity (Go SEA)

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