UCSF

ZINC08997494

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 20 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) 4.66 6.72 -13.99 2 4 0 62 349.209 2
Hi High (pH 8-9.5) 4.66 7.72 -57.26 1 4 -1 65 348.201 2

Activity (Go SEA)

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