UCSF

ZINC33010432

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 32 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) 3.34 11.99 -71.92 2 8 0 99 434.496 6
Mid Mid (pH 6-8) 3.34 9.63 -51.24 1 8 -1 98 433.488 6
Lo Low (pH 4.5-6) 3.34 12.29 -93.23 3 8 1 100 435.504 6

Activity (Go SEA)

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