UCSF

ZINC61992576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 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) 0.68 2.92 -53.49 4 5 1 72 278.376 9
Mid Mid (pH 6-8) 0.68 3.99 -43.35 4 5 1 69 278.376 9
Mid Mid (pH 6-8) 0.68 5.36 -127.75 5 5 2 73 279.384 9

Activity (Go SEA)

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