UCSF

ZINC37049500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.21 3.76 -174.34 5 4 3 40 245.435 7
Hi High (pH 8-9.5) 0.21 1.64 -33.71 3 4 1 37 243.419 7
Mid Mid (pH 6-8) 0.21 2.01 -84.88 4 4 2 39 244.427 7

Activity (Go SEA)

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