UCSF

ZINC37267791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 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) 1.20 4.47 -43.31 2 4 1 50 323.154 4
Hi High (pH 8-9.5) 1.20 3.21 -9.89 1 4 0 45 322.146 4

Activity (Go SEA)

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