UCSF

ZINC20122101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 1.76 3.95 -37.68 2 4 1 36 266.409 6
Hi High (pH 8-9.5) 1.76 4.64 -35 2 4 1 33 266.409 6
Mid Mid (pH 6-8) 1.76 6.19 -103.38 3 4 2 37 267.417 6
Mid Mid (pH 6-8) 1.76 5.87 -112 3 4 2 37 267.417 6
Lo Low (pH 4.5-6) 1.76 8.1 -192.39 4 4 3 39 268.425 6

Activity (Go SEA)

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