UCSF

ZINC36771066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.12 4.83 -45.51 3 3 1 44 268.384 3
Hi High (pH 8-9.5) 0.12 4.53 -4.68 2 3 0 42 267.376 3
Lo Low (pH 4.5-6) 0.12 7 -134.22 4 3 2 45 269.392 3

Activity (Go SEA)

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