UCSF

ZINC36996389

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) 2.65 9.2 -76.1 3 3 2 21 281.488 4
Hi High (pH 8-9.5) 2.65 6.95 -30.92 2 3 1 20 280.48 4
Lo Low (pH 4.5-6) 2.65 10.1 -184.03 4 3 3 25 282.496 4

Activity (Go SEA)

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