UCSF

ZINC36996384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 2.27 8.02 -74.18 3 3 2 21 267.461 3
Hi High (pH 8-9.5) 2.27 5.77 -33.14 2 3 1 20 266.453 3
Lo Low (pH 4.5-6) 2.28 9.06 -181.72 4 3 3 25 268.469 3

Activity (Go SEA)

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