UCSF

ZINC04330301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 21 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) 3.22 4.16 -14.18 1 5 0 68 279.299 3
Hi High (pH 8-9.5) 3.29 3.29 -55.18 0 5 -1 74 278.291 3

Activity (Go SEA)

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