UCSF

ZINC28761640

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 23 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) 3.00 10.8 -8.14 0 3 0 21 303.409 4
Mid Mid (pH 6-8) 3.00 11.28 -35.18 1 3 1 22 304.417 4
Lo Low (pH 4.5-6) 3.00 12.88 -111.16 2 3 2 24 305.425 4

Activity (Go SEA)

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