UCSF

ZINC32105847

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 2.10 3.67 -40.6 3 3 1 40 251.394 7
Hi High (pH 8-9.5) 2.10 2.32 -3.25 2 3 0 35 250.386 7
Mid Mid (pH 6-8) 2.10 4.92 -37.97 3 3 1 37 251.394 7

Activity (Go SEA)

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