UCSF

ZINC02973090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 25 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) 1.37 5.87 -13.98 2 7 0 93 337.335 4
Hi High (pH 8-9.5) 1.83 4.02 -39.67 1 7 -1 96 336.327 4

Activity (Go SEA)

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