UCSF

ZINC22074932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 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) 3.06 4.82 -42.22 2 3 1 29 367.105 6
Hi High (pH 8-9.5) 3.06 3.35 -3.01 1 3 0 24 366.097 6
Mid Mid (pH 6-8) 3.06 5.88 -37.01 2 3 1 26 367.105 6
Mid Mid (pH 6-8) 3.06 7.2 -116.73 3 3 2 30 368.113 6

Activity (Go SEA)

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