UCSF

ZINC37184359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 1.57 5.89 -36.15 2 4 1 48 220.296 5
Hi High (pH 8-9.5) 1.57 4.58 -10.04 1 4 0 43 219.288 5

Activity (Go SEA)

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