UCSF

ZINC36968568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 1.96 -0.54 -97.57 1 7 -2 122 312.328 4
Hi High (pH 8-9.5) 1.96 -0.49 -165.41 0 7 -3 124 311.32 4
Mid Mid (pH 6-8) 1.50 1.64 -100.96 1 7 -2 121 312.328 4
Mid Mid (pH 6-8) 1.50 1.48 -49.65 2 7 -1 119 313.336 4

Activity (Go SEA)

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