UCSF

ZINC08845431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 3.61 7.9 -15.73 2 7 0 91 438.487 7
Hi High (pH 8-9.5) 3.61 8.76 -43.7 1 7 -1 94 437.479 7
Mid Mid (pH 6-8) 3.61 8.66 -55.75 1 7 -1 94 437.479 7
Lo Low (pH 4.5-6) 3.61 9.06 -47.93 3 7 1 93 439.495 7

Activity (Go SEA)

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