UCSF

ZINC31816038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 31 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) 4.28 10.58 -41.69 2 6 0 82 437.496 5
Hi High (pH 8-9.5) 4.28 8.55 -56.41 1 6 -1 81 436.488 5

Activity (Go SEA)

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