UCSF

ZINC44138928

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) -0.95 4.74 -59.65 5 2 1 54 285.264 3
Hi High (pH 8-9.5) -0.95 4.59 -8.96 4 2 0 52 284.256 3
Mid Mid (pH 6-8) -0.95 5.07 -161.18 6 2 2 55 286.272 3

Activity (Go SEA)

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