UCSF

ZINC19640406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 5.84 9.87 -11.52 1 6 0 91 394.239 3
Hi High (pH 8-9.5) 6.29 7.6 -49.15 0 6 -1 94 393.231 3
Hi High (pH 8-9.5) 6.29 8.07 -46.53 0 6 -1 94 393.231 3

Activity (Go SEA)

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