UCSF

ZINC06977937

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2006 21 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) 0.24 1.58 -18.71 5 8 0 127 310.383 6
Lo Low (pH 4.5-6) 0.24 2.16 -106.24 7 8 2 130 312.399 6
Lo Low (pH 4.5-6) 0.24 1.86 -41.97 6 8 1 128 311.391 6

Activity (Go SEA)

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