UCSF

ZINC34689382

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 18 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) 1.65 7.04 -107.74 4 3 2 35 249.402 6
Hi High (pH 8-9.5) 1.65 6.66 -37.53 3 3 1 34 248.394 6
Mid Mid (pH 6-8) 1.65 4.59 -45.07 3 3 1 34 248.394 6

Activity (Go SEA)

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