UCSF

ZINC36804538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 11 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) 0.30 3.28 -27.48 2 3 1 31 152.221 4
Hi High (pH 8-9.5) 0.30 2.81 -7.63 1 3 0 30 151.213 4
Mid Mid (pH 6-8) 0.30 4.64 -102.94 3 3 2 36 153.229 4
Mid Mid (pH 6-8) 0.30 4.19 -40.7 2 3 1 34 152.221 4

Activity (Go SEA)

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