UCSF

ZINC08740904

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 33 No

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) 3.59 7.34 -57.6 0 7 -1 82 490.363 7
Mid Mid (pH 6-8) 4.04 9.89 -55.54 2 7 1 81 492.379 6
Mid Mid (pH 6-8) 3.59 9.68 -76.96 1 7 0 83 491.371 7

Activity (Go SEA)

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