UCSF

ZINC19300986

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 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) 3.08 6.91 -41.16 2 5 1 54 349.495 9
Hi High (pH 8-9.5) 3.08 4.73 -7.62 1 5 0 53 348.487 9
Mid Mid (pH 6-8) 3.08 6.99 -48.79 2 5 1 54 349.495 9

Activity (Go SEA)

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