UCSF

ZINC36992108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.10 5.74 -40.38 3 2 1 37 268.789 4
Hi High (pH 8-9.5) 4.10 4.48 -4.79 2 2 0 32 267.781 4

Activity (Go SEA)

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