UCSF

ZINC32809290

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 32 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) 3.27 6.76 -11.1 1 7 0 67 438.572 7
Lo Low (pH 4.5-6) 3.27 9.07 -107.79 3 7 2 69 440.588 7
Lo Low (pH 4.5-6) 3.27 6.99 -43.31 2 7 1 68 439.58 7

Activity (Go SEA)

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