UCSF

ZINC32101480

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 13 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) 1.75 3.42 -40.68 3 2 1 37 245.14 4
Hi High (pH 8-9.5) 1.75 1.93 -4.65 2 2 0 32 244.132 4

Activity (Go SEA)

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