UCSF

ZINC33515403

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 32 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) 2.71 9.61 -71.62 1 8 0 93 438.48 8
Hi High (pH 8-9.5) 2.71 7.08 -53.47 0 8 -1 91 437.472 8
Lo Low (pH 4.5-6) 2.71 8.32 -60.53 2 8 1 90 439.488 8

Activity (Go SEA)

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