UCSF

ZINC32819032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 27 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) 1.98 9.81 -66.12 2 6 1 63 368.457 5
Hi High (pH 8-9.5) 1.98 7.64 -18.44 1 6 0 62 367.449 5

Activity (Go SEA)

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