UCSF

ZINC36906751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.62 5.16 -103.01 4 3 2 35 269.458 5
Hi High (pH 8-9.5) 1.62 2.54 -3.04 2 3 0 32 267.442 5
Mid Mid (pH 6-8) 1.62 2.89 -45.16 3 3 1 34 268.45 5

Activity (Go SEA)

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