UCSF

ZINC32102283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 30 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) 4.69 10.26 -20.1 1 8 0 92 421.53 3
Ref Reference (pH 7) 3.76 11.51 -28.8 1 8 0 88 421.53 4

Activity (Go SEA)

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